SCHEMBL20914739

SCHEMBL20914739

CC(=O)NS(=O)(=O)c1cc(C(C)(C)O)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
EPHX2 P34913 1/20 0.39
DHFR P00374 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTK2B Q14289 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NLRP3 Q96P20 1/20 0.36
BRD4 O60885 1/20 0.36
GSTO1 P78417 2/20 0.35
HSD11B1 P28845 1/20 0.35
PTGS2 P35354 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20914732 0.81 LMNA (0.43) LMNAPKMEPHX2DHFRTSHR
SCHEMBL24592562 0.77 HSD11B1 (0.40) HSD11B1
SCHEMBL22012124 0.77 BRD4 (0.37) SMN1; SMN2PTK2BBRD4HSD11B1
SCHEMBL23378839 0.76 GSTO1 (0.53) NLRP3GSTO1
SCHEMBL20914742 0.76 SMN1; SMN2 (0.61) POLBPKMEPHX2DHFRTSHR
SCHEMBL29927210 0.76 HSD11B1 (0.39) PKMEPHX2HSD11B1PTGS2
SCHEMBL19475016 0.76 HSD11B1 (0.39) PKMEPHX2HSD11B1PTGS2
SCHEMBL19475018 0.75 GSTO1 (0.66) NLRP3GSTO1
SCHEMBL29749035 0.75 GSTO1 (0.66) NLRP3GSTO1
SCHEMBL23378793 0.74 GSTO1 (0.52) NLRP3GSTO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190119241-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 POLB 4488/4885LMNA 1347/4885PKM 2721/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.